Year |
Citation |
Score |
2022 |
Kudaibergenova M, Guo J, Khan HM, Lees-Miller J, Mousaei M, Miranda W, Ngo VA, Noskov SY, Tieleman DP, Duff HJ. The voltage-sensing domain of a hERG1 mutant is a cation-selective channel. Biophysical Journal. 121: 4585-4599. PMID 36815709 DOI: 10.1016/j.bpj.2022.10.032 |
0.349 |
|
2022 |
Ngo VA, Queralt-Martín M, Khan F, Bergdoll L, Abramson J, Bezrukov SM, Rostovtseva TK, Hoogerheide DP, Noskov SY. The Single Residue K12 Governs the Exceptional Voltage Sensitivity of Mitochondrial Voltage-Dependent Anion Channel Gating. Journal of the American Chemical Society. 144: 14564-14577. PMID 35925797 DOI: 10.1021/jacs.2c03316 |
0.34 |
|
2021 |
Ngo V, Li H, MacKerell AD, Allen TW, Roux B, Noskov S. Polarization Effects in Water-Mediated Selective Cation Transport across a Narrow Transmembrane Channel. Journal of Chemical Theory and Computation. PMID 33539082 DOI: 10.1021/acs.jctc.0c00968 |
0.456 |
|
2020 |
Zhang Y, Haider K, Kaur D, Ngo VA, Cai X, Mao J, Khaniya U, Zhu X, Noskov S, Lazaridis T, Gunner MR. Characterizing the water wire in the Gramicidin channel found by Monte Carlo sampling using continuum electrostatics and in molecular dynamics trajectories with conventional or polarizable force fields Journal of Theoretical and Computational Chemistry. 2042001. DOI: 10.1142/S0219633620420018 |
0.374 |
|
2020 |
Queralt-Martin M, Ngo VA, Bergdoll LA, Abramson J, Hoogerheide DP, Rostovtseva TK, Bezrukov SM, Noskov SY. Solving the Gating Mechanism of the Mitochondrial β-Barrel Metabolite Channel VDAC Biophysical Journal. 118: 269a. DOI: 10.1016/J.Bpj.2019.11.1553 |
0.329 |
|
2019 |
Wang Y, Finol-Urdaneta RK, Ngo VA, French RJ, Noskov SY. Author Correction: Bases of Bacterial Sodium Channel Selectivity Among Organic Cations. Scientific Reports. 9: 18992. PMID 31813931 DOI: 10.1038/S41598-019-55306-4 |
0.365 |
|
2019 |
Nguyen TH, Ngo V, Castro Zerba JP, Noskov S, Minh DDL. Nonequilibrium path-ensemble averages for symmetric protocols. The Journal of Chemical Physics. 151: 194103. PMID 31757156 DOI: 10.1063/1.5121306 |
0.332 |
|
2019 |
Wang Y, Finol-Urdaneta RK, Ngo VA, French RJ, Noskov SY. Bases of Bacterial Sodium Channel Selectivity Among Organic Cations. Scientific Reports. 9: 15260. PMID 31649292 DOI: 10.1038/S41598-019-51605-Y |
0.521 |
|
2019 |
Amin KS, Rostovtseva TK, Bezrukov SM, Noskov SY, Ngo V. State-Dependence of Ion and ATP Transport in VDAC1 Protein Investigated with GCMC/BD Simulations Biophysical Journal. 116. DOI: 10.1016/J.Bpj.2018.11.2152 |
0.4 |
|
2018 |
Miranda WE, Ngo VA, Wang R, Zhang L, Chen SRW, Noskov SY. Molecular Mechanism of Conductance Enhancement in Narrow Cation-Selective Membrane Channels. The Journal of Physical Chemistry Letters. 3497-3502. PMID 29886737 DOI: 10.1021/Acs.Jpclett.8B01005 |
0.489 |
|
2018 |
Farley RA, Holzmann S, Kopp C, Shi Y, Wang Y, Noskov S, Ngo VA. Nonequilibrium Molecular Dynamics (MD) Simulations of Multi-ion Permeation in KcsA Biophysical Journal. 114: 133a. DOI: 10.1016/J.Bpj.2017.11.753 |
0.431 |
|
2018 |
Miranda WE, Ngo VA, Chen SW, Noskov SY. Understanding the Molecular Mechanism of Cation Permeation in the Cardiac Ryanodine Receptor (RyR2) Channel using Computational Electrophysiology Biophysical Journal. 114: 115a. DOI: 10.1016/J.Bpj.2017.11.665 |
0.366 |
|
2018 |
Ngo V, Rostovtseva TK, Bezrukov SM, Noskov SY. Revealing Molecular Coupling between Anion Selectivity and Structural Transitions in Voltage-Dependent Anion Channel (VDAC) Biophysical Journal. 114. DOI: 10.1016/J.Bpj.2017.11.1714 |
0.397 |
|
2017 |
Miranda WE, Ngo VA, Perissinotti LL, Noskov SY. Computational Membrane Biophysics: From Ion Channels Interactions with Drugs to Cellular Function. Biochimica Et Biophysica Acta. PMID 28847523 DOI: 10.1016/J.Bbapap.2017.08.008 |
0.49 |
|
2017 |
Ngo VA, Perissinotti LL, Miranda W, Chen SRW, Noskov SY. Mapping Ryanodine Binding Sites in the Pore Cavity of Ryanodine Receptors. Biophysical Journal. 112: 1645-1653. PMID 28445755 DOI: 10.1016/J.Bpj.2017.03.014 |
0.316 |
|
2017 |
Zhekova HR, Ngo V, Silva MCd, Salahub D, Noskov S. Selective ion binding and transport by membrane proteins – A computational perspective Coordination Chemistry Reviews. 345: 108-136. DOI: 10.1016/J.Ccr.2017.03.019 |
0.463 |
|
2017 |
Ngo V, Wang Y, Noskov S. Unconventional Ion-Permeation Pathways in NaV Ab and Cav Ab Channels from Molecular Simulations with Polarizable Force-Fields Biophysical Journal. 112: 13a. DOI: 10.1016/J.Bpj.2016.11.105 |
0.586 |
|
2016 |
Miranda WE, Ngo VA, Valiente PA, Noskov SY. Improved QM/MM Linear Interaction Energy Model for Substrate Recognition in Zinc-Containing Metalloenzymes. The Journal of Physical Chemistry. B. PMID 27448039 DOI: 10.1021/Acs.Jpcb.6B05628 |
0.303 |
|
2016 |
Ngo VA, Kim I, Allen TW, Noskov SY. Estimation of Potentials of Mean Force from Non-Equilibrium Pulling Simulations Using Both Minh-Adib Estimator and Weighted Histogram Analysis Method. Journal of Chemical Theory and Computation. PMID 26799775 DOI: 10.1021/Acs.Jctc.5B01050 |
0.37 |
|
2016 |
Ngo V, Wang Y, Haas S, Noskov SY, Farley RA. K+ Block Is the Mechanism of Functional Asymmetry in Bacterial Nav Channels. Plos Computational Biology. 12: e1004482. PMID 26727271 DOI: 10.1371/Journal.Pcbi.1004482 |
0.686 |
|
2016 |
Ngo V, Noskov SY. A Trio of Cations in Gramicidin a Channel: Importance of Quantum Effects to Describe Ion Selectivity of K+ and Na+, and Proton Transfer Biophysical Journal. 110: 177a. DOI: 10.1016/J.Bpj.2015.11.989 |
0.55 |
|
2016 |
Farley RA, Shi Y, Wang Y, Ngo V, Noskov S. Molecular Dynamics Simulations of Mutant K Channels Involved in Severe Early Onset Epilepsy Biophysical Journal. 110: 449a. DOI: 10.1016/J.Bpj.2015.11.2411 |
0.513 |
|
2015 |
Ngo V, da Silva MC, Kubillus M, Li H, Roux B, Elstner M, Cui Q, Salahub DR, Noskov SY. Quantum Effects in Cation Interactions with First and Second Coordination Shell Ligands in Metalloproteins. Journal of Chemical Theory and Computation. 11: 4992-5001. PMID 26574284 DOI: 10.1021/Acs.Jctc.5B00524 |
0.396 |
|
2015 |
Li H, Ngo V, Da Silva MC, Salahub DR, Callahan K, Roux B, Noskov SY. Representation of Ion-Protein Interactions Using the Drude Polarizable Force-Field. The Journal of Physical Chemistry. B. 119: 9401-16. PMID 25578354 DOI: 10.1021/Jp510560K |
0.458 |
|
2015 |
Ngo V, Wang Y, Noskov S, Haas S, Farley RA. Molecular Dynamics Simulations Describe the Mechanism of K Block in Bacterial Nav Channels Biophysical Journal. 108: 574a-575a. DOI: 10.1016/J.Bpj.2014.11.3142 |
0.663 |
|
2014 |
Ngo V, Stefanovski D, Haas S, Farley RA. Non-equilibrium dynamics contribute to ion selectivity in the KcsA channel. Plos One. 9: e86079. PMID 24465882 DOI: 10.1371/Journal.Pone.0086079 |
0.676 |
|
2014 |
Ngo VA, Di Felice R, Haas S. Is the G-quadruplex an effective nanoconductor for ions? The Journal of Physical Chemistry. B. 118: 864-72. PMID 24397412 DOI: 10.1021/Jp408071H |
0.659 |
|
2014 |
Ngo V, Stefanovski D, Haas S, Farley RA. Z-Coordinates (Å) for Stable Positions for Na + and K + Ions After Each Pulling Step (Δλ = 1 Å). Plos One. DOI: 10.1371/Journal.Pone.0086079.T001 |
0.579 |
|
2014 |
Ngo V, Stefanovski D, Haas S, Farley RA. Calculated values of conductance (G) for a K + ion pulled through the KcsA channel using a step-wise pulling protocol. Plos One. DOI: 10.1371/Journal.Pone.0086079.G007 |
0.621 |
|
2014 |
Ngo V, Stefanovski D, Haas S, Farley RA. Free energy profiles for Na+ and K+ ions in the KcsA channel. Plos One. DOI: 10.1371/Journal.Pone.0086079.G002 |
0.656 |
|
2014 |
Ngo V, Wu H, Haas S, Farley R. Mechanism of Non-Selectivity in NAK Channel Biophysical Journal. 106: 558. DOI: 10.1016/J.Bpj.2013.11.3103 |
0.634 |
|
2014 |
Tabbakhian M, Ngo V, Haas S, Farley R. Amino Acid Substitutions for T75 in KCSA Alter Ion Selectivity Biophysical Journal. 106: 5-9. DOI: 10.1016/J.Bpj.2013.11.3004 |
0.663 |
|
2013 |
Ngo V, Stefanovski D, Farley R, Haas S. Thermal Effects and Free-Energy Barrier Differences in the Ion Selectivity Mechanism of KcsA Biophysical Journal. 104: 1-8. DOI: 10.1016/J.Bpj.2012.11.736 |
0.624 |
|
2012 |
Ngo VA, Haas S. Demonstration of Jarzynski's equality in open quantum systems using a stepwise pulling protocol. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 86: 031127. PMID 23030886 DOI: 10.1103/Physreve.86.031127 |
0.448 |
|
2012 |
Ngo VA. Parallel-pulling protocol for free-energy evaluation. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 85: 036702. PMID 22587204 DOI: 10.1103/Physreve.85.036702 |
0.31 |
|
2012 |
Ngo VA, Kalia RK, Nakano A, Vashishta P. Supercrystals of DNA-functionalized gold nanoparticles: A million-atom molecular dynamics simulation study Journal of Physical Chemistry C. 116: 19579-19585. DOI: 10.1021/Jp306133V |
0.38 |
|
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